4-(1,3-benzothiazol-2-yl)-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}butanamide
Chemical Structure Depiction of
4-(1,3-benzothiazol-2-yl)-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}butanamide
4-(1,3-benzothiazol-2-yl)-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}butanamide
Compound characteristics
| Compound ID: | S233-2075 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-N-{[rel-(4aR,7aS)-2-oxo-1-propyloctahydro-4aH-cyclopenta[b]pyridin-4a-yl]methyl}butanamide |
| Molecular Weight: | 413.58 |
| Molecular Formula: | C23 H31 N3 O2 S |
| Smiles: | [H][C@@]12CCC[C@]1(CCC(N2CCC)=O)CNC(CCCc1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6654 |
| logD: | 3.6654 |
| logSw: | -3.8031 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.196 |
| InChI Key: | BDRPTBFLHRGIKJ-XXBNENTESA-N |